CID 100665

Selenazofurin

Structural Information

Molecular Formula
C9H12N2O5Se
SMILES
C1=C(N=C([Se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI
InChI=1S/C9H12N2O5Se/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1
InChIKey
CKMBACZHCFMPLQ-DBRKOABJSA-N
Compound name
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-selenazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

228
Patents

307.99115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99843 162.3
[M+Na]+ 330.98037 168.3
[M+NH4]+ 326.02497 166.5
[M+K]+ 346.95431 170.7
[M-H]- 306.98387 162.2
[M+Na-2H]- 328.96582 161.6
[M]+ 307.99060 162.4
[M]- 307.99170 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe